SCHEMBL1690495

SCHEMBL1690495

Cc1cc(C(C)(C)C)ccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
RXRB P28702 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
NR1H4 Q96RI1 2/20 0.44
LRRK2 Q5S007 1/20 0.44
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.42
ESRRG P62508 2/20 0.42
ESRRB O95718 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL15828702 0.86 L3MBTL1 (0.44) TDP1RXRBL3MBTL1LRRK2ALDH1A1
SCHEMBL25831239 0.86 MKNK1 (0.44) TDP1RXRBL3MBTL1MKNK1MKNK2
SCHEMBL10418922 0.86 TDP1 (0.50) TDP1RXRBL3MBTL1NR1H4LRRK2
SCHEMBL17998017 0.83 TDP1 (0.56) TDP1RXRBNR1H4ALDH1A1MAPT
SCHEMBL2054574 0.82 ALDH1A1 (0.55) TDP1L3MBTL1MKNK1MKNK2NR1H4
SCHEMBL3655194 0.82 KDM4E (0.53) RXRBMKNK1MKNK2ALDH1A1KMT2A
SCHEMBL2054636 0.82 ALDH1A1 (0.55) TDP1L3MBTL1NR1H4LRRK2EPHX2
SCHEMBL27398104 0.82 MKNK1 (0.41) TDP1RXRBL3MBTL1MKNK1MKNK2
SCHEMBL162565 0.82 RXRB (0.69) TDP1RXRBNR1H4EPHX2SRD5A2
SCHEMBL7218153 0.82 TDP1 (0.50) TDP1RXRBNR1H4EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
CN-113820920-B Photosensitive resin composition, method for producing cured relief pattern, and semiconductor device 旭化成株式会社 2023-07-04 CN disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 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 (8 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 TDP1 2995/4885RXRB 3351/4885L3MBTL1 2920/4885
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 TDP1 813/4885RXRB 2185/4885L3MBTL1 648/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 TDP1 2995/4885RXRB 3351/4885L3MBTL1 2920/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 TDP1 813/4885RXRB 2185/4885L3MBTL1 648/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 TDP1 2995/4885RXRB 3351/4885L3MBTL1 2920/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 TDP1 650/4885RXRB 2184/4885L3MBTL1 619/4885
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 TDP1 2627/4885RXRB 432/4885L3MBTL1 4858/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 TDP1 813/4885RXRB 2185/4885L3MBTL1 648/4885

“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.