SCHEMBL3778613

SCHEMBL3778613

C[C@H](Nc1nc(N2CCCCC2)nc2ccccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
GAA P10253 6/20 1.00
ALDH1A1 P00352 6/20 1.00
HPGD P15428 5/20 1.00
LMNA P02545 3/20 1.00
ALOX12 P18054 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
HSD17B10 Q99714 5/20 0.97
KMT2A Q03164 3/20 0.97
MAPT P10636 2/20 0.97
ALOX15 P16050 2/20 0.97
GLA P06280 5/20 0.78
TSHR P16473 3/20 0.71
SMN1; SMN2 Q16637 1/20 0.70
MEN1 O00255 2/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
CCNE2 O96020 3/20 0.54
CCNE1 P24864 3/20 0.54
CDK2 P24941 3/20 0.54

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
SCHEMBL3640032 1.00 KDM4E (1.00) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL3640035 1.00 KDM4E (1.00) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL29415992 0.99 KDM4E (1.00) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL3641493 0.99 KDM4E (1.00) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL3643098 0.93 KDM4E (0.86) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL3643100 0.93 KDM4E (0.86) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL3639040 0.92 KDM4E (0.84) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL3639044 0.92 KDM4E (0.84) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL3772212 0.92 KDM4E (0.84) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL3772215 0.92 KDM4E (0.84) KDM4EGAAALDH1A1HPGDLMNA

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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US claimed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN claimed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN 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 (1 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 KDM4E 3866/4885GAA 1009/4885ALDH1A1 2522/4885

“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.