SCHEMBL398357

SCHEMBL398357

CC(C)(C)c1ccc(N)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.48
ALDH1A1 P00352 6/20 0.39
TSHR P16473 4/20 0.38
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RECQL P46063 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2379371 0.82 TSHR (0.44) CASP1ALDH1A1TSHRGAAPOLB
SCHEMBL30987853 0.82 TSHR (0.44) CASP1ALDH1A1TSHRGAAPOLB
SCHEMBL3356943 0.81 CASP1 (0.44) CASP1ALDH1A1TSHRGAAPOLB
SCHEMBL9503147 0.80 TSHR (0.43) CASP1ALDH1A1TSHRGAAPOLB
SCHEMBL9503076 0.79 CASP1 (0.43) CASP1ALDH1A1TSHRGAAPOLB
SCHEMBL297275 0.78 ALDH1A1 (0.59) ALDH1A1TSHRGAAPOLBMAPT
SCHEMBL12737452 0.78 SMN1; SMN2 (0.54) ALDH1A1TSHRPOLBMAPTNPC1
SCHEMBL14803471 0.78 ALDH1A1 (0.54) CASP1ALDH1A1TSHRGAAPOLB
SCHEMBL11512947 0.78 CASP1 (0.41) CASP1ALDH1A1TSHRGAAPOLB
SCHEMBL20869790 0.78 CASP1 (0.41) CASP1ALDH1A1TSHRGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992527-A Heat resistance, protective coatings, electronics AMOCO CORPORATION (US) 1991-02-12 US claimed
US-4973659-A HEAR RESISTANT FILMS, FIBERS, COMPOSITES AMOCO CORPORATION (US) 1990-11-27 US claimed
US-4968780-A SOLUBLE IN N-METHYLPYRROLIDONE, HIGH GLASS TRANSITION TEMPERATURE, HEAT RESISTANT FILMS, FIBERS AND COMPOSITES AMOCO CORPORATION (US) 1990-11-06 US claimed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-0342943-A1 Thermosetting resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-23 EP disclosed
EP-0178583-B1 POLYURETHANE SYSTEMS USING MONOTERTIARY-ALKYLTOLUENEDIAMINE AS A CROSS LINKER AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-05-31 EP disclosed
EP-0311387-A2 Aromatic amine resins, their production process and thermosetting resin compositions making use of the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-12 EP disclosed
US-4816543-A REACTIN INJECTION MOLDING MATERIALS AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-03-28 US disclosed
US-4745223-A CHAIN EXTENDERS FOR POLYUREAS AND POLYURETHANES AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-05-17 US disclosed
EP-0178583-A1 Polyurethane systems using monotertiary-alkyltoluenediamine as a cross linker AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-23 EP disclosed
EP-0177916-A1 Mono-tertiary-alkylated toluenediamine and derivatives AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-16 EP disclosed
EP-0153606-A2 Process for the production of polyurethane urea elastomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-09-04 EP disclosed
US-4482690-A AROMATIC DIAMINE AS CHAIN EXTENDER AIR PRODUCTS AND CHEMICALS, INC. (US) 1984-11-13 US 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 (2 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CASP1 4480/4885ALDH1A1 2165/4885TSHR 2753/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CASP1 4480/4885ALDH1A1 2165/4885TSHR 2753/4885

“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.