Sugi Predict

Sugi Predict / Compounds / SCHEMBL482497

SCHEMBL482497

SCHEMBL482497

CCOc1ccc2sc(N)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.77
▸ ALDH1A1 P00352 3/20 0.77
▸ TP53 P04637 3/20 0.77
▸ TSHR P16473 2/20 0.77
▸ HSD17B10 Q99714 2/20 0.77
▸ MAPT P10636 3/20 0.55
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ PIK3CD O00329 2/20 0.50
▸ PIK3CA P42336 2/20 0.50
▸ PIK3CB P42338 2/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ PI4KA P42356 1/20 0.50
▸ PI4KB Q9UBF8 1/20 0.50
▸ FTO Q9C0B1 1/20 0.50
▸ PKM P14618 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49

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
SCHEMBL31257148 1.00 CYP3A4 (0.77) CYP3A4ALDH1A1TP53TSHRHSD17B10
SCHEMBL233589 0.87 CYP3A4 (1.00) CYP3A4ALDH1A1TP53TSHRHSD17B10
SCHEMBL31229217 0.83 CYP3A4 (0.55) CYP3A4ALDH1A1TP53TSHRHSD17B10
SCHEMBL31487019 0.82 PDE10A (0.59) CYP3A4ALDH1A1TP53TSHRHSD17B10
SCHEMBL8244075 0.82 PDE10A (0.59) CYP3A4ALDH1A1TP53TSHRHSD17B10
SCHEMBL29751964 0.81 CYP3A4 (0.75) CYP3A4ALDH1A1TP53TSHRHSD17B10
SCHEMBL73908 0.81 CYP3A4 (0.75) CYP3A4ALDH1A1TP53TSHRHSD17B10
SCHEMBL20641289 0.81 CYP3A4 (0.52) CYP3A4ALDH1A1TP53TSHRHSD17B10
SCHEMBL8244059 0.81 NPC1 (0.58) CYP3A4ALDH1A1TP53TSHRHSD17B10
SCHEMBL6692946 0.81 KMT2A (0.51) CYP3A4ALDH1A1TP53TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 — — US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 — — US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 — — US claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 — — WO disclosed
US-9102638-B2 Amidobenzothiazoles and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-11 — — US disclosed
US-20150011528-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OF ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2015-01-08 — — US disclosed
EP-2758384-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Yuhan Corporation (KR) 2014-07-30 — — EP disclosed
WO-2013043001-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2013-03-28 — — WO disclosed
EP-1937669-B9 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-07-18 — — EP disclosed
EP-1937669-B1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 — — EP disclosed
US-7838553-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-11-23 — — US disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 — — EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 — — EP disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 — — EP disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 — — WO disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 — — WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 — — US disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — 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 (3 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-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A CYP3A4 319/4885ALDH1A1 517/4885TP53 4877/4885
US-20150011528-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OF ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ILK, PKMYT1, PLAUR CYP3A4 3187/4885ALDH1A1 3792/4885TP53 2326/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B CYP3A4 252/4885ALDH1A1 399/4885TP53 4880/4885

“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.