SCHEMBL5224729

SCHEMBL5224729

COC(=O)c1ccc2c(C)coc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NQO2 P16083 2/20 0.48
CREBBP Q92793 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PSMB8 P28062 1/20 0.46
LCK P06239 1/20 0.45
GSK3B P49841 1/20 0.45
KIF11 P52732 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL31393502 1.00 ALDH1A1 (0.51) ALDH1A1LMNAUSP2MAPTSMN1; SMN2
SCHEMBL30122481 0.98 ALDH1A1 (0.50) ALDH1A1LMNAUSP2MAPTSMN1; SMN2
SCHEMBL5226482 0.87 NQO2 (0.58) ALDH1A1LMNAUSP2MAPTSMN1; SMN2
SCHEMBL23121195 0.83 NOTUM (0.48) ALDH1A1LMNAUSP2MAPTSMN1; SMN2
SCHEMBL5228185 0.81 PIM1 (0.46) ALDH1A1MAPTSMN1; SMN2TDP1GSK3B
SCHEMBL27587553 0.78 KDM4E (0.59) ALDH1A1LMNAMAPTSMN1; SMN2CREBBP
SCHEMBL70757 0.78 CREBBP (0.57) ALDH1A1LMNAMAPTSMN1; SMN2CREBBP
SCHEMBL8784780 0.76 KDM4E (0.58) ALDH1A1CREBBPCA12CA1CA2
SCHEMBL31683075 0.75 PIM1 (0.56) ALDH1A1LMNAUSP2MAPTSMN1; SMN2
SCHEMBL3966330 0.73 CREBBP (0.56) ALDH1A1MAPTCREBBPCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
EP-4103559-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-12-21 EP disclosed
CN-115348961-A Heterocyclic PAD4 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 WO disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 WO disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
WO-2013075084-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
EP-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP disclosed
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
EP-1425286-A1 SUBSTITUTED 7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2004-06-09 EP disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 WO 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 (5 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 ALDH1A1 109/4885LMNA 2670/4885USP2 4428/4885
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 ALDH1A1 300/4885LMNA 2850/4885USP2 3897/4885
US-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 ALDH1A1 411/4885LMNA 3029/4885USP2 997/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 ALDH1A1 109/4885LMNA 2670/4885USP2 4428/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 ALDH1A1 104/4885LMNA 3053/4885USP2 538/4885

“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.