SCHEMBL20177039

SCHEMBL20177039

CCOC(=O)c1cc(I)nn1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 1/20 0.49
KDM4E B2RXH2 2/20 0.47
FAAH O00519 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CLK1 P49759 1/20 0.40
UBE2N P61088 1/20 0.40
HSD17B10 Q99714 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL1894879 0.83 LMNA (0.52) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23769697 0.82 SMN1; SMN2 (0.46) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL7698241 0.81 LMNA (0.61) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL1850876 0.81 LMNA (0.51) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2546897 0.81 CA12 (0.42) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL973113 0.80 LMNA (0.50) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL8072052 0.80 LMNA (0.56) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL286585 0.80 LMNA (0.50) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL20269905 0.80 LMNA (0.50) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL26104183 0.80 RAB9A (0.54) LMNASMN1; SMN2RAB9ANPC1MAPT

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
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
WO-2023164179-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2023-08-31 WO disclosed
EP-3535258-B1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO disclosed
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 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 (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-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 LMNA 409/4885SMN1; SMN2 2146/4885RAB9A 1099/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 LMNA 409/4885SMN1; SMN2 2146/4885RAB9A 1099/4885
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 LMNA 2081/4885SMN1; SMN2 4693/4885RAB9A 3930/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 LMNA 2081/4885SMN1; SMN2 4693/4885RAB9A 3930/4885

“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.