SCHEMBL3249503

SCHEMBL3249503

O=C1NC2(CCNCC2)C(=O)N1Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.75
ALDH1A1 P00352 7/20 0.55
CYP2C19 P33261 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 2/20 0.50
CNR1 P21554 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
ELANE P08246 1/20 0.47

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
Hydrochloric Acid SCHEMBL23610493 0.98 KMT2A (0.73) KMT2AALDH1A1CYP2C19SMN1; SMN2LMNA
SCHEMBL13879509 0.87 KMT2A (0.91) KMT2AALDH1A1CYP2C19SMN1; SMN2LMNA
SCHEMBL3248953 0.86 ALDH1A1 (0.57) KMT2AALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6623779 0.85 KMT2A (0.55) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL14197242 0.85 ALDH1A1 (0.56) KMT2AALDH1A1SMN1; SMN2LMNAMAPK1
Hydrochloric Acid SCHEMBL4830876 0.84 ALDH1A1 (0.55) KMT2AALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL3233520 0.83 KMT2A (0.73) KMT2AALDH1A1CYP2C19SMN1; SMN2LMNA
SCHEMBL21764931 0.82 ALDH1A1 (0.53) KMT2AALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL9965983 0.82 KMT2A (0.71) KMT2AALDH1A1CYP2C19SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL21753322 0.81 ALDH1A1 (0.52) KMT2AALDH1A1SMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572370-B2 CD16A binding agents and uses thereof BIOHAVEN THERAPEUTICS LTD. (US) 2023-02-07 US disclosed
WO-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 KMT2A 1323/4885ALDH1A1 1322/4885CYP2C19 624/4885
US-11572370-B2 CD16A binding agents and uses thereof FCGR1A, FCGR2A, FCGR3B KMT2A 499/4885ALDH1A1 1203/4885CYP2C19 3692/4885

“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.