SCHEMBL315820

SCHEMBL315820

Cc1c[c]c2cccc(C)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 2/20 0.33
CCR1 P32246 2/20 0.33
METAP2 P50579 1/20 0.33
CCR5 P51681 1/20 0.33
PARP1 P09874 1/20 0.33
ELANE P08246 1/20 0.33
ESR1 P03372 1/20 0.33
PSMD14 O00487 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL1933757 0.81 SMN1; SMN2 (0.33) ALDH1A1KMT2AMEN1KDM4ERAB9A
SCHEMBL944682 0.78 ALDH1A1 (0.35) TP53ALDH1A1KMT2AMEN1PARP1
SCHEMBL22093016 0.78 NQO2 (0.47) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL96433 0.71 CYP1A2 (0.45) ALDH1A1KDM4ETDP1RAB9APOLB
SCHEMBL4465618 0.68 HTR1A (0.40) ALDH1A1KDM4ECCR1CCR5PARP1
SCHEMBL806441 0.66 CCR1 (0.64) TP53KMT2AMEN1TDP1RAB9A
SCHEMBL3747239 0.63 DRD4 (0.37) TP53ALDH1A1KDM4EPARP1ELANE
SCHEMBL2987897 0.63 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1KDM4EMETAP2
SCHEMBL8966258 0.63 KDM4E (0.69) TP53ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4309825 0.63 CYP1A2 (0.33) ALDH1A1CYP2A6CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US 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 (2 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 TP53 4389/4885ALDH1A1 2650/4885KMT2A 3968/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 TP53 4843/4885ALDH1A1 2031/4885KMT2A 1134/4885

“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.