SCHEMBL3846983

SCHEMBL3846983

O=CNCC(=O)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PTPN1 P18031 1/20 0.52
PLOD2 O00469 1/20 0.50
AGTR1 P30556 1/20 0.46
HTR7 P34969 1/20 0.46
LMNA P02545 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX12 P18054 1/20 0.45

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 SCHEMBL3856154 0.98 MAPT (0.56) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL26114568 0.81 KMT2A (0.53) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23014514 0.81 GSK3B (0.53) MAPTALDH1A1NPC1RAB9AAGTR1
SCHEMBL9980337 0.81 ALDH1A1 (0.58) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL350086 0.80 ALDH1A1 (0.62) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2296624 0.77 HTR7 (0.55) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2491432 0.77 PLOD2 (0.69) MAPTCYP3A4NPC1RAB9APTPN1
SCHEMBL2296870 0.77 NPC1 (0.47) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3852942 0.77 HDAC1 (0.56) MAPTALDH1A1NPC1LMNACES2
SCHEMBL13838823 0.76 NPC1 (0.61) MAPTALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP MAPT 2688/4885ALDH1A1 783/4885CYP1A2 853/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 MAPT 4554/4885ALDH1A1 1391/4885CYP1A2 1209/4885

“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.