SCHEMBL2952012

SCHEMBL2952012

OCCNC(=S)NCc1cccc(Cl)c1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
P2RX7 Q99572 4/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18653879 0.85 P2RX7 (0.42) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7799847 0.85 LMNA (0.55) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7797771 0.85 KMT2A (0.48) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7801603 0.82 KMT2A (0.40) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7791617 0.82 KMT2A (0.51) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7801191 0.82 KMT2A (0.40) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7797711 0.81 LMNA (0.49) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL7797756 0.80 P2RX7 (0.44) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL29781598 0.80 CYP3A4 (0.48) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5795611 0.80 ALDH1A1 (0.47) LMNAALDH1A1MAPTSMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381307-A1 TREATMENT OF AUTISM SPECTRUM DISORDER AND ASSOCIATED SYMPTOMS PRICE RICHARD LOUIS (US) 2023-11-30 US disclosed
US-20230381307-A1 TREATMENT OF AUTISM SPECTRUM DISORDER AND ASSOCIATED SYMPTOMS PRICE RICHARD LOUIS (US) 2023-11-30 US disclosed
US-11744891-B2 Treatment of autism spectrum disorder and associated symptoms PRICE RICHARD LOUIS (US) 2023-09-05 US disclosed
US-11744891-B2 Treatment of autism spectrum disorder and associated symptoms PRICE RICHARD LOUIS (US) 2023-09-05 US disclosed
US-20200268882-A1 TREATMENT OF AUTISM SPECTRUM DISORDER AND ASSOCIATED SYMPTOMS PRICE RICHARD LOUIS (US) 2020-08-27 US disclosed
US-10688179-B2 Treatment of autism spectrum disorder and associated symptoms PRICE RICHARD LOUIS (US) 2020-06-23 US disclosed
US-20190351054-A1 TREATMENT OF AUTISM SPECTRUM DISORDER AND ASSOCIATED SYMPTOMS PRICE RICHARD LOUIS (US) 2019-11-21 US disclosed
US-10251865-B2 Method of activating regulatory T cells with alpha-2B adrenergic receptor agonists ALLERGAN, INC. (US) 2019-04-09 US disclosed
EP-3332782-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2018-06-13 EP disclosed
EP-2605771-B1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN INC (US) 2018-04-04 EP disclosed
US-20030092766-A1 Methods and compositions for modulating alpha adrenergic receptor activity ALLERGAN SALES, INC. 2003-05-15 US disclosed
WO-2003035178-A1 METHODS AND COMPOSITIONS FOR MODULATING ALPHA ADRENERGIC RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2003-05-01 WO disclosed
WO-2003035178-A1 METHODS AND COMPOSITIONS FOR MODULATING ALPHA ADRENERGIC RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2003-05-01 WO disclosed
US-6545182-B2 For pain therapy ALLERGAN SALES, INC. 2003-04-08 US disclosed
EP-1280524-A2 METHODS AND COMPOSITIONS FOR MODULATING ALPHA ADRENERGIC RECEPTOR ACTIVITY Allergan, Inc. (US) 2003-02-05 EP disclosed
EP-1280525-A2 METHODS AND COMPOSITIONS FOR MODULATING ALPHA ADRENERGIC RECEPTOR ACTIVITY Allergan, Inc. (US) 2003-02-05 EP disclosed
US-20020058839-A1 Methods and compositions for modulating alpha adrenergic receptor activity ALLERGAN SALES, INC. 2002-05-16 US disclosed
US-6313172-B1 ADMINISTERING HYDROXYETHYLTHIOUREA DERIVATIVE FOR THERAPY OF PAIN IN MAMMAL ALLERGAN SALES, INC. 2001-11-06 US disclosed
WO-2001078702-A2 METHODS AND COMPOSITIONS FOR MODULATING ALPHA ADRENERGIC RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2001-10-25 WO disclosed
WO-2001078703-A2 METHODS AND COMPOSITIONS FOR MODULATING ALPHA ADRENERGIC RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2001-10-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10688179-B2 Treatment of autism spectrum disorder and associated symptoms ITPR1, ITPR2, ITPR3 LMNA 3822/4885ALDH1A1 748/4885MAPT 1328/4885
US-20190351054-A1 TREATMENT OF AUTISM SPECTRUM DISORDER AND ASSOCIATED SYMPTOMS ITPR1, ITPR2, ITPR3 LMNA 3822/4885ALDH1A1 748/4885MAPT 1328/4885
US-20020058839-A1 Methods and compositions for modulating alpha adrenergic receptor activity ADRB2, ADRA2A, ADRA2C LMNA 2350/4885ALDH1A1 1420/4885MAPT 2924/4885
US-20230381307-A1 TREATMENT OF AUTISM SPECTRUM DISORDER AND ASSOCIATED SYMPTOMS ITPR1, ITPR2, ITPR3 LMNA 3822/4885ALDH1A1 748/4885MAPT 1328/4885
US-20030092766-A1 Methods and compositions for modulating alpha adrenergic receptor activity ADRB2, ADRA2A, ADRB1 LMNA 2370/4885ALDH1A1 1656/4885MAPT 2572/4885
US-20200268882-A1 TREATMENT OF AUTISM SPECTRUM DISORDER AND ASSOCIATED SYMPTOMS ITPR1, ITPR2, ITPR3 LMNA 3822/4885ALDH1A1 748/4885MAPT 1328/4885
US-11744891-B2 Treatment of autism spectrum disorder and associated symptoms ITPR1, ITPR2, ITPR3 LMNA 3822/4885ALDH1A1 748/4885MAPT 1328/4885
US-10251865-B2 Method of activating regulatory T cells with alpha-2B adrenergic receptor agonists ADRA2B, ADRB2, ADRA2A LMNA 2921/4885ALDH1A1 887/4885MAPT 3941/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.