SCHEMBL4970281

SCHEMBL4970281

ClC1CCCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
IDO1 P14902 4/20 0.47
PRCP P42785 1/20 0.43
CHRNA7 P36544 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PDPK1 O15530 1/20 0.41
EPHX1 P07099 1/20 0.41
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 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
SCHEMBL926062 0.94 IDO1 (0.53) TSHRIDO1CHRNA7ALDH1A1XBP1
SCHEMBL30422264 0.94 IDO1 (0.53) TSHRIDO1CHRNA7ALDH1A1XBP1
Hydrochloric Acid SCHEMBL28558644 0.92 IDO1 (0.55) TSHRIDO1ALDH1A1SIGMAR1XBP1
Methane SCHEMBL28634069 0.92 IDO1 (0.52) TSHRIDO1ALDH1A1XBP1HTT
SCHEMBL30094172 0.85 IDO1 (0.50) IDO1PDPK1SIGMAR1
SCHEMBL1117278 0.85 IDO1 (0.50) IDO1PDPK1SIGMAR1
SCHEMBL29156852 0.79 IDO1 (0.41) TSHRIDO1PRCPALDH1A1SIGMAR1
SCHEMBL18716864 0.78 TSHR (0.46) TSHRIDO1PRCPCHRNA7PDPK1
SCHEMBL440138 0.77 HTR2A (0.54) IDO1PRCPPDPK1
SCHEMBL29793145 0.77 HTR2A (0.54) IDO1PRCPPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973882-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2008-10-01 EP disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
US-6740661-B2 TRICYCLIC IMINE CONTAINING COMPOUNDS HAVING IMIDAZOLE SUBSTITUENT; ANTITUMOR AGENTS SCHERING CORPORATION 2004-05-25 US disclosed
US-6372747-B1 ENZYME INHIBITORS AND ANTICARCINOGENIC AGENTS SCHERING CORPORATION 2002-04-16 US disclosed
EP-1140902-A1 TRICYCLIC FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000037459-A1 TRICYCLIC FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2000-06-29 WO disclosed
EP-0575890-B1 Fumaric acid salts of quinoline derivatives to overcome MDR in cancer treatment MITSUI CHEMICALS INC (JP) 1998-09-09 EP disclosed
US-5434155-A FOR STIMULATION OF A CARCINOSTATIC EFFECT MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-07-18 US disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
EP-0575890-A1 Fumaric acid salts of quinoline derivatives to overcome MDR in cancer treatment MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-12-29 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 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 (1 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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS TSHR 1799/4885IDO1 4703/4885PRCP 1099/4885

“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.