SCHEMBL185619

SCHEMBL185619

Cc1ncc(C(=O)O)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HSD17B10 Q99714 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALOX15 P16050 1/20 0.58
HCAR2 Q8TDS4 3/20 0.50
P4HA1 P13674 2/20 0.50
P4HTM Q9NXG6 2/20 0.50
MIF P14174 1/20 0.48
HCAR3 P49019 3/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46

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
SCHEMBL1255692 0.85 KDM4E (0.50) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL4886683 0.80 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL669121 0.79 NNMT (0.52) HSD17B10KDM4ECYP2C19SMN1; SMN2MAPT
SCHEMBL2175856 0.79 KCNJ1 (0.39) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL19300252 0.78 BAZ2B (0.49) HPGDSMN1; SMN2TSHR
SCHEMBL4123825 0.77 NAPRT (0.40) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL185448 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL3705899 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL21945745 0.74 HCAR2 (0.47) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL25244616 0.74 HPGD (0.47) ALDH1A1HSD17B10KDM4EP4HA1P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167944-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-08-23 CN claimed
CN-114702506-B 11-carbonyl-20-ethoxy source oridonin and 14-OH esterified serial derivatives and application thereof 郑州大学 2023-08-22 CN claimed
CN-114702506-A 11-carbonyl-20-ethoxy economic oridonin and 14-OH esterified series derivatives and application thereof 郑州大学 2022-07-05 CN claimed
EP-3551634-B1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
CN-111108109-A Substituted dihydrothienopyrimidines and their use as phosphodiesterase inhibitors 利奥制药有限公司 2020-05-05 CN claimed
CN-110099905-A SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-06 CN claimed
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP claimed
EP-2635567-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2013-09-11 EP claimed
US-20130217702-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. 2013-08-22 US claimed
CN-103201276-A Indole derivatives RICHTER GEDEON NYRT 2013-07-10 CN claimed
WO-2012059776-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2012-05-10 WO claimed
CN-102421760-A Dihydropyrimidinones useful as BACE2 inhibitors HOFFMANN LA ROCHE 2012-04-18 CN claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US claimed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130217702-A1 INDOLE DERIVATIVES BDKRB1, BDKRB2, ARRB1 ALDH1A1 1752/4885HSD17B10 2911/4885KDM4E 3663/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 ALDH1A1 527/4885HSD17B10 362/4885KDM4E 4309/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP ALDH1A1 2133/4885HSD17B10 726/4885KDM4E 4082/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 ALDH1A1 563/4885HSD17B10 536/4885KDM4E 2548/4885

“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.