SCHEMBL425967

SCHEMBL425967

N#Cc1ccc(NN)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.63
TRPV4 Q9HBA0 1/20 0.52
SLC22A12 Q96S37 6/20 0.50
GRM4 Q14833 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
S1PR3 Q99500 1/20 0.41
AR P10275 4/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CYP11B2 P19099 1/20 0.40
BLM P54132 1/20 0.39

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 SCHEMBL423366 0.98 IDO1 (0.61) IDO1TRPV4SLC22A12GRM4KDM4E
SCHEMBL3833327 0.84 SLC22A12 (0.50) IDO1TRPV4SLC22A12GRM4KDM4E
SCHEMBL6125193 0.80 IDO1 (0.54) IDO1TRPV4SLC22A12GRM4S1PR3
SCHEMBL15357415 0.78 IDO1 (0.53) IDO1TRPV4SLC22A12GRM4S1PR3
SCHEMBL19557916 0.77 IDO1 (0.51) IDO1TRPV4SLC22A12GRM4S1PR3
SCHEMBL16854124 0.77 IDO1 (0.55) IDO1TRPV4SLC22A12GRM4S1PR3
SCHEMBL3623834 0.76 TRPV4 (0.52) IDO1TRPV4CYP11B2
SCHEMBL12844693 0.76 IDO1 (0.42) IDO1TRPV4SLC22A12KDM4ENPC1
SCHEMBL383103 0.76 ABCG2 (0.43) IDO1TRPV4SLC22A12GRM4KDM4E
SCHEMBL426896 0.76 ABCG2 (0.44) IDO1SLC22A12KDM4EMAPTS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937348-B1 PROCESS FOR THE PREPARATION OF A COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST KBP BIOSCIENCES PTE LTD (SG) 2021-09-08 EP claimed
US-9809589-B2 Crystal form of compound used as mineralocorticoid receptor antagonist and preparation method therefor KBP BIOSCIENCES CO., LTD. (CN) 2017-11-07 US claimed
CN-105026391-B Crystal formation of compound as mineralocorticoid receptor antagonists and preparation method thereof 山东亨利医药科技有限责任公司 2016-11-16 CN claimed
US-20150336950-A1 CRYSTAL FORM OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR KBP BIOSCIENCES CO., LTD. (CN) 2015-11-26 US claimed
CN-105026391-A Crystal form of compound used as mineralocorticoid receptor antagonist and preparation method therefor KBP BIOSCIENCES CO LTD 2015-11-04 CN claimed
EP-2937348-A1 CRYSTAL FORM OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR KBP Biosciences Co., Ltd. (CN) 2015-10-28 EP claimed
CN-113874371-B Preparation method of tri-fused ring compound and intermediate thereof 诺和诺德股份有限公司 2024-04-16 CN disclosed
US-20220144824-A1 METHOD FOR PREPARING TRICYCLIC COMPOUND, AND INTERMEDIATE THEREOF NOVO NORDISK A/S (DK) 2022-05-12 US disclosed
US-20220144824-A1 METHOD FOR PREPARING TRICYCLIC COMPOUND, AND INTERMEDIATE THEREOF NOVO NORDISK A/S (DK) 2022-05-12 US disclosed
EP-3954688-A1 CRYSTAL FORMS OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND METHODS FOR THEIR PREPARATION KBP BIOSCIENCES PTE. LTD. (SG) 2022-02-16 EP disclosed
EP-3954688-A1 CRYSTAL FORMS OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND METHODS FOR THEIR PREPARATION KBP BIOSCIENCES PTE. LTD. (SG) 2022-02-16 EP disclosed
EP-3932920-A1 METHOD FOR PREPARING TRICYCLIC COMPOUND, AND INTERMEDIATE THEREOF KBP Biosciences Co., Ltd. (CN) 2022-01-05 EP disclosed
CN-113874371-A Preparation method of tricyclic compound and intermediate thereof 山东亨利医药科技有限责任公司 2021-12-31 CN disclosed
EP-2089367-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2009-08-19 EP disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
WO-2008053300-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed
EP-1097921-A1 Phenylhydrazines SANOFI-SYNTHELABO (FR) 2001-05-09 EP disclosed
EP-0820444-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1998-01-28 EP disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 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 (3 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-20220144824-A1 METHOD FOR PREPARING TRICYCLIC COMPOUND, AND INTERMEDIATE THEREOF CYP4F3, CYP3A4, CYP4B1 IDO1 1244/4885TRPV4 3141/4885SLC22A12 4591/4885
US-20150336950-A1 CRYSTAL FORM OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR NR3C2, REN, MC2R IDO1 4726/4885TRPV4 634/4885SLC22A12 1285/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB IDO1 1563/4885TRPV4 309/4885SLC22A12 1050/4885

“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.